[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H26N2O3S/c1-2-3-7-17-12-14-18(15-13-17)24-21(26)16-28-23(27)11-6-10-22-25-19-8-4-5-9-20(19)29-22/h4-5,8-9,12-15H,2-3,6-7,10-11,16H2,1H3,(H,24,26)